SCHEMBL4447685

SCHEMBL4447685

CS(=O)(=O)c1nccc([Sn](C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DYRK1A Q13627 1/20 0.30
DYRK2 Q92630 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL612270 0.75 PARP1 (0.33) PARP1DYRK1ADYRK2DYRK1B
SCHEMBL4138614 0.74 NPSR1 (0.42) PARP1LMNASMN1; SMN2
SCHEMBL30637352 0.74 NPSR1 (0.42) PARP1LMNASMN1; SMN2
SCHEMBL1750195 0.74 PARP1 (0.38) PARP1LMNASMN1; SMN2DYRK1ADYRK2
SCHEMBL1490042 0.72 MTOR (0.37) PARP1LMNASMN1; SMN2DYRK1ADYRK2
SCHEMBL20606050 0.72 LMNA (0.39) PARP1LMNASMN1; SMN2DYRK1ADYRK2
SCHEMBL758549 0.72 TP53 (0.37) PARP1LMNASMN1; SMN2DYRK1ADYRK2
SCHEMBL22471636 0.72 PARP1 (0.37) PARP1LMNASMN1; SMN2DYRK1ADYRK2
SCHEMBL13074743 0.72 PARP1 (0.37) PARP1LMNASMN1; SMN2DYRK1ADYRK2
SCHEMBL3929459 0.72 PARP1 (0.37) PARP1LMNASMN1; SMN2DYRK1ADYRK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12138265-B2 Heteroaryl compounds, pharmaceutical compositions thereof, and their therapeutic use YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2024-11-12 US disclosed
US-20230233562-A1 HETEROARYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC USE YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2023-07-27 US disclosed
EP-3749666-A1 HETEROARYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC USE Yissum Research Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2020-12-16 EP disclosed
US-20200383984-A1 HETEROARYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC USE YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2020-12-10 US disclosed
CN-111971280-A Heteroaryl compounds, pharmaceutical compositions thereof and therapeutic uses thereof 耶路撒冷希伯来大学伊萨姆研究发展公司 2020-11-20 CN disclosed
WO-2020192302-A1 PYRIMIDINE-CONTAINING TRI-SUBSTITUTED IMIDAZOLE COMPOUND AND APPLICATION THEREOF 广州必贝特医药技术有限公司 2020-10-01 WO disclosed
WO-2019155468-A1 HETEROARYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC USE YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2019-08-15 WO disclosed
US-7589095-B2 4-phenyl-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2009-09-15 US disclosed
EP-1758870-B1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2008-08-13 EP disclosed
US-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives Cai, Jiaqiang 2008-04-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200383984-A1 HETEROARYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC USE CDK9, IRAK1, CSNK1A1 PARP1 937/4885LMNA 1008/4885SMN1; SMN2 2506/4885
US-12138265-B2 Heteroaryl compounds, pharmaceutical compositions thereof, and their therapeutic use CDK9, IRAK1, CSNK1A1 PARP1 890/4885LMNA 981/4885SMN1; SMN2 2432/4885
US-20230233562-A1 HETEROARYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC USE CDK9, IRAK1, CSNK1A1 PARP1 890/4885LMNA 981/4885SMN1; SMN2 2432/4885
US-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives P2RY4, P2RX4, P2RY1 PARP1 220/4885LMNA 3795/4885SMN1; SMN2 1012/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.